Basic information
- Standard SMILES
CCC(C)(O)C(=O)c1ccc(S(C)(=O)=O)cc1- InChIKey
OJHHGIUBBKWEBK-UHFFFAOYSA-N- Molecular formula
- C12H16O4S
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.07693016
Names & identifiers
- Preferred name
- 2-Hydroxy-2-methyl-1-(4-(methylsulfonyl)phenyl)butan-1-one
- IUPAC
- 2-hydroxy-2-methyl-1-(4-methylsulfonylphenyl)butan-1-one
Names & synonyms
SCHEMBL7481840OJHHGIUBBKWEBK-UHFFFAOYSA-N2-hydroxy-2-methyl-1-(4-(methylsulfonyl)phenyl)butan-1-one(rs)-2-hydroxy-1-(4-methanesulfonylphenyl)-2-methyl-1-butanone
Database identifiers
- PubChem CID
- 15480644
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 374
Related reactions
8 records
Compound notes
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